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22620-34-4 molecular structure
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(5-chloropyridin-3-yl)methanol

ChemBase ID: 58870
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
C(O)c1cncc(c1)Cl
Canonical SMILES:
OCc1cc(Cl)cnc1
InChI:
InChI=1S/C6H6ClNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
InChIKey:
ALUCWNPKIRQBEF-UHFFFAOYSA-N

Cite this record

CBID:58870 http://www.chembase.cn/molecule-58870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloropyridin-3-yl)methanol
IUPAC Traditional name
(5-chloropyridin-3-yl)methanol
Synonyms
(5-Chloro-3-pyridinyl)methanol
CAS Number
22620-34-4
MDL Number
MFCD09743969
PubChem SID
162063633
PubChem CID
25067264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25067264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.577108  H Acceptors
H Donor LogD (pH = 5.5) 0.59127384 
LogD (pH = 7.4) 0.5922557  Log P 0.5922683 
Molar Refractivity 35.5218 cm3 Polarizability 13.800139 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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